2-(5-Fluoro-2-methylphenyl)acetonitrile - CAS 80141-97-5
Catalog: |
BB036470 |
Product Name: |
2-(5-Fluoro-2-methylphenyl)acetonitrile |
CAS: |
80141-97-5 |
Synonyms: |
2-(5-fluoro-2-methylphenyl)acetonitrile; 2-(5-fluoro-2-methylphenyl)acetonitrile |
IUPAC Name: | 2-(5-fluoro-2-methylphenyl)acetonitrile |
Description: | 2-(5-Fluoro-2-methylphenyl)acetonitrile (CAS# 80141-97-5) is a useful research chemical. |
Molecular Weight: | 149.16 |
Molecular Formula: | C9H8FN |
Canonical SMILES: | CC1=C(C=C(C=C1)F)CC#N |
InChI: | InChI=1S/C9H8FN/c1-7-2-3-9(10)6-8(7)4-5-11/h2-3,6H,4H2,1H3 |
InChI Key: | COYCHCYSJJZVQR-UHFFFAOYSA-N |
Boiling Point: | 237.4 °C at 760 mmHg |
Density: | 1.095 g/cm3 |
MDL: | MFCD01631529 |
LogP: | 2.20018 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020048829-A1 | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
TW-202024083-A | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
AU-2018251087-A1 | Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof | 20170410 |
AU-2018251758-A1 | Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
CA-3059273-A1 | Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.064077422 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.064077422 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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